1-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea

C22H30N4O2 — CID 55922865

IUPAC1-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
SMILESCC(C)Oc1cccc(CNC(=O)NCc2ccnc(N3CCCCC3)c2)c1
InChIInChI=1S/C22H30N4O2/c1-17(2)28-20-8-6-7-18(13-20)15-24-22(27)25-16-19-9-10-23-21(14-19)26-11-4-3-5-12-26/h6-10,13-14,17H,3-5,11-12,15-16H2,1-2H3,(H2,24,25,27)
InChIKeyDFOKCZAZOJRTMC-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.86
Rot. Bonds7

About 1-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea

1-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea (PubChem CID 55922865) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
PubChem CID55922865
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name1-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
SMILESCC(C)Oc1cccc(CNC(=O)NCc2ccnc(N3CCCCC3)c2)c1
InChIInChI=1S/C22H30N4O2/c1-17(2)28-20-8-6-7-18(13-20)15-24-22(27)25-16-19-9-10-23-21(14-19)26-11-4-3-5-12-26/h6-10,13-14,17H,3-5,11-12,15-16H2,1-2H3,(H2,24,25,27)
InChIKeyDFOKCZAZOJRTMC-UHFFFAOYSA-N
XLogP3.86
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea with MolForge

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Related Compounds

1-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-[2-[ethyl(methyl)amino]ethyl]urea
CID 86899195
1-(4-hydroxy-2-methylpentyl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 111454262
methyl 4-[[(2-piperidin-1-yl-4-pyridinyl)methylcarbamoylamino]methyl]benzoate
CID 55770129
1-(4-phenylbutan-2-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 42954515
N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 87005288
2-(benzylcarbamoylamino)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
CID 37313326
1-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(3-methylphenyl)urea
CID 46387376
1-[(1-hydroxycycloheptyl)methyl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 111426686
1-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]urea
CID 86898888
propan-2-yl 3-[[2-(azepan-1-yl)-4-pyridinyl]methylcarbamoylamino]-3-phenylpropanoate
CID 86898981
1-[2-(3-fluorophenyl)ethyl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 36962409
1-(2-methylsulfanylphenyl)-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea
CID 87003359

Frequently Asked Questions

What is the IUPAC name of 1-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea?
The IUPAC name of 1-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea (CID 55922865) is 1-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea.
What is the SMILES notation for 1-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea?
The canonical SMILES for 1-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea is CC(C)Oc1cccc(CNC(=O)NCc2ccnc(N3CCCCC3)c2)c1.
What is the InChIKey of 1-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea?
The InChIKey is DFOKCZAZOJRTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-17(2)28-20-8-6-7-18(13-20)15-24-22(27)25-16-19-9-10-23-21(14-19)26-11-4-3-5-12-26/h6-10,13-14,17H,3-5,11-12,15-16H2,1-2H3,(H2,24,25,27).
What are the key properties of 1-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea?
1-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea has a molecular weight of 382.51 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea is sourced from PubChem (CID 55922865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).